CID 71305717

1373029-39-0

Structural Information

Molecular Formula
C12H19NO4S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C(CCS2)C(=O)O
InChI
InChI=1S/C12H19NO4S/c1-11(2,3)17-10(16)13-6-12(7-13)8(9(14)15)4-5-18-12/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
DUYKPSAHFAIBRQ-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-2-azaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1035 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11078 162.9
[M+Na]+ 296.09272 164.1
[M+NH4]+ 291.13732 166.0
[M+K]+ 312.06666 162.1
[M-H]- 272.09622 158.2
[M+Na-2H]- 294.07817 162.1
[M]+ 273.10295 160.7
[M]- 273.10405 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.